3UWV
Crystal structure of Staphylococcus Aureus triosephosphate isomerase complexed with 2-phosphoglyceric acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2010-12-10 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 78.953, 78.953, 175.124 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.070 |
R-factor | 0.187 |
Rwork | 0.185 |
R-free | 0.22200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3m9y |
RMSD bond length | 0.010 |
RMSD bond angle | 1.125 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0095) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 71.976 | 2.180 |
High resolution limit [Å] | 2.070 | 2.070 |
Rmerge | 0.454 | |
Number of reflections | 34450 | |
<I/σ(I)> | 22.1 | 1.7 |
Completeness [%] | 99.3 | 96.9 |
Redundancy | 13.7 | 11.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 1.6M TRISODIUM CITRATE, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |